Information card for entry 4028460

Structure parameters

• Formula: C28 H38.5 Au F2 N2 O2.25 P
• Calculated formula: C28 H38.5 Au F2 N2 O2.25 P
• Title of publication: Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles
• Authors of publication: Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7508 - 7517
• a: 18.7732 ± 0.0006 Å
• b: 15.9334 ± 0.0005 Å
• c: 20.2459 ± 0.0007 Å
• α: 90°
• β: 104.18 ± 0.002°
• γ: 90°
• Cell volume: 5871.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No